Difference between revisions of "CPD-804"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17372 CPD-17372] == * smiles: ** C(O)CCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)O * inchi...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2)) *...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2)) |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** paraxanthine |
| + | * inchi key: | ||
| + | ** InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 180.166 |
* Synonym(s): | * Synonym(s): | ||
| + | ** 1,7-dimethylxanthine | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[RXN-11520]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4687 4687] |
| − | {{#set: smiles= | + | * HMDB : HMDB01860 |
| − | {{#set: | + | * LIGAND-CPD: |
| − | {{#set: | + | ** [http://www.genome.jp/dbget-bin/www_bget?C13747 C13747] |
| − | {{#set: molecular weight= | + | * CHEMSPIDER: |
| − | {{#set: consumed by=RXN- | + | ** [http://www.chemspider.com/Chemical-Structure.4525.html 4525] |
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25858 25858] | ||
| + | * METABOLIGHTS : MTBLC25858 | ||
| + | {{#set: smiles=CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))}} | ||
| + | {{#set: common name=paraxanthine}} | ||
| + | {{#set: inchi key=InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N}} | ||
| + | {{#set: molecular weight=180.166 }} | ||
| + | {{#set: common name=1,7-dimethylxanthine}} | ||
| + | {{#set: consumed by=RXN-11520}} | ||
Revision as of 15:41, 21 March 2018
Contents
Metabolite 1-7-DIMETHYLXANTHINE
- smiles:
- CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))
- common name:
- paraxanthine
- inchi key:
- InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N
- molecular weight:
- 180.166
- Synonym(s):
- 1,7-dimethylxanthine
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- HMDB : HMDB01860
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC25858
